کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5417280 | 1506926 | 2009 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Effect of water molecules on the decarboxylation of Orotidine 5â²-monophosphate catalyzed by Orotidine 5â²-monophosphate decarboxylase
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
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چکیده انگلیسی
The effect of water molecules on the enzyme-catalyzed decarboxylation of Orotidine 5â²-monophosphate was investigated using hybrid Density Functional Theory (B3LYP functional). Different models were designed and the reaction barriers with these models were calculated. The results show that the indirect interactions between O-2 and O-4 of the pyrimidine ring and the positive charged residues through water bridges can reduce the barrier significantly; and that water molecules play a key role in the transition state stabilization of catalytic decarboxylation of Orotidine 5â²-monophosphate.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 897, Issues 1â3, 15 March 2009, Pages 139-144
Journal: Journal of Molecular Structure: THEOCHEM - Volume 897, Issues 1â3, 15 March 2009, Pages 139-144
نویسندگان
Dezhan Chen, Juliang Wang, Honghong Zhang, Shizhen Mi, Guiqiu Zhang, Qingli Wang, Qiang Zeng,